- InChI
- InChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
- InChI Key
- JBUCYVMFLWLDIO-UHFFFAOYSA-N
- Formula
- C8H13NS
- SMILES
- Cc1csc(CC(C)C)n1
- Molecular Weight1
- 155.26
- CAS
- 61323-24-8
- Other Names
-
- 2-iso-Butyl-4-methylthiazole
- Thiazole, 2-isobutyl-4-methyl
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4010 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 3.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.650 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 2919.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1086.00; 1086.00] |
|
|
| Inp | 1086.00 | NIST | |
| Inp | 1086.00 | NIST | |
| I | [1420.00; 1420.00] |
|
|
| I | 1420.00 | NIST | |
| I | 1420.00 | NIST | |
| Tboil | 451.95 | K | Relay (1.0) Calculated Property |
| Tc | 677.05 | K | Relay (1.0) Calculated Property |
| Tfus | 220.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 4-methyl-2-(2-methylpropyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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